2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide

C14H22N4O3 — CID 146153861

IUPAC2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccnc(CN2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(20)6-10-7-18(8-11(10)19)9-12-15-5-4-13(16-12)21-3/h4-5,10-11,19H,6-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGIAKFFHXJAPPFQ-GHMZBOCLSA-N
MW294.35 g/mol
LogP-0.24
Rot. Bonds5

About 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide

2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide (PubChem CID 146153861) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide
PubChem CID146153861
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccnc(CN2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(20)6-10-7-18(8-11(10)19)9-12-15-5-4-13(16-12)21-3/h4-5,10-11,19H,6-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGIAKFFHXJAPPFQ-GHMZBOCLSA-N
XLogP-0.24
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide (CID 146153861) is 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide is COc1ccnc(CN2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)n1.
What is the InChIKey of 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is GIAKFFHXJAPPFQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)14(20)6-10-7-18(8-11(10)19)9-12-15-5-4-13(16-12)21-3/h4-5,10-11,19H,6-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide?
2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 294.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146153861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).